Study of structural and electronic origin of ambergris odor of some compounds.
The correlation between structural, stereochemical as well as electronic features and ambergris odor of some tricyclic ethers is established based on quantum chemical calculation method. A definite structural fragment (a "new ambergris triangle") with certain electronic properties determining the origin of the odor is revealed. The influence of HOMO-LUMO energy gaps and total energies of some ambergris compounds on their odor intensity is investigated.
Cheng
Li Ping
LP
School of Chemical Engineering, Shanghai Institute of Technology, 120 Caobao Road, Shanghai, People's Republic of China. chengliping@sit.edu.cn
Xu
Li
L
Mao
Hai Fang
HF
Wang
Gen Li
GL
D018648:Ambergris / Q000737:chemistry*; D015394:Molecular Structure; D009812:Odorants; D011083:Polycyclic Compounds / Q000737:chemistry*; D013329:Structure-Activity Relationship
D018648:Ambergris; D011083:Polycyclic Compounds